2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

C14H13IN4O4 — CID 137152057

IUPAC2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(I)c1O
InChIInChI=1S/C14H13IN4O4/c1-2-23-12-6-9(5-11(15)14(12)20)7-17-18-13-4-3-10(8-16-13)19(21)22/h3-8,20H,2H2,1H3,(H,16,18)/b17-7+
InChIKeyHPYXWISYOYUNJB-REZTVBANSA-N
MW428.19 g/mol
LogP3.14
Rot. Bonds6

About 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 137152057) has the molecular formula C14H13IN4O4 and a molecular weight of 428.19 g/mol. Its IUPAC name is 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID137152057
Molecular FormulaC14H13IN4O4
Molecular Weight428.19 g/mol
Exact Mass428.00
IUPAC Name2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(I)c1O
InChIInChI=1S/C14H13IN4O4/c1-2-23-12-6-9(5-11(15)14(12)20)7-17-18-13-4-3-10(8-16-13)19(21)22/h3-8,20H,2H2,1H3,(H,16,18)/b17-7+
InChIKeyHPYXWISYOYUNJB-REZTVBANSA-N
XLogP3.14
TPSA109.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.19
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-iodo-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137064603
2,6-dimethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135473372
2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3744788
2-[2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3129184
2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol
CID 2179477
ethyl 2-[2-bromo-6-chloro-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6262759
2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135891680
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135730506
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135589998
2-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-1-nitroguanidine
CID 135678871
4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzoic acid
CID 5065997

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 137152057) is 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(I)c1O.
What is the InChIKey of 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is HPYXWISYOYUNJB-REZTVBANSA-N. The full InChI is InChI=1S/C14H13IN4O4/c1-2-23-12-6-9(5-11(15)14(12)20)7-17-18-13-4-3-10(8-16-13)19(21)22/h3-8,20H,2H2,1H3,(H,16,18)/b17-7+.
What are the key properties of 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol has a molecular weight of 428.19 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137152057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).